Receptor
PDB id Resolution Class Description Source Keywords
1toj 1.9 Å EC: 2.6.1.1 HYDROCINNAMIC ACID-BOUND STRUCTURE OF SRHEPT MUTANT OF E. CO ASPARTATE AMINOTRANSFERASE ESCHERICHIA COLI ASPARTATE AMINOTRANSFERASE HEXAMUTANT SRHEPT TRANSFERASE
Ref.: NARROWING SUBSTRATE SPECIFICITY IN A DIRECTLY EVOLV ENZYME: THE A293D MUTANT OF ASPARTATE AMINOTRANSFER BIOCHEMISTRY V. 43 12780 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HCI A:410;
Valid;
none;
Kd = 0.41 mM
150.174 C9 H10 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TOI 1.9 Å EC: 2.6.1.1 HYDROCINNAMIC ACID-BOUND STRUCTURE OF HEXAMUTANT + A293D MUT COLI ASPARTATE AMINOTRANSFERASE ESCHERICHIA COLI ASPARTATE AMINOTRANSFERASE HEXAMUTANT TRANSFERASE
Ref.: NARROWING SUBSTRATE SPECIFICITY IN A DIRECTLY EVOLV ENZYME: THE A293D MUTANT OF ASPARTATE AMINOTRANSFER BIOCHEMISTRY V. 43 12780 2004
Members (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
2 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
3 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
4 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
6 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
7 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
9 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
10 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
11 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
12 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
13 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
14 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
15 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
17 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
18 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
20 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
21 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
22 1AHG - TYR PLP n/a n/a
23 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
24 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
25 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
26 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
28 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
29 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
30 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
31 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
32 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
33 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
34 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
35 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
36 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 1ART - PLP 0A0 n/a n/a
38 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
39 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
40 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
41 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
42 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
43 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
44 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
45 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
46 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
47 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
2 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
3 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
4 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
6 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
7 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
9 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
10 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
11 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
12 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
13 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
14 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
15 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
17 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
18 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
20 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
21 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
22 1AHG - TYR PLP n/a n/a
23 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
24 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
25 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
26 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
28 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
29 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
30 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
31 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
32 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
33 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
34 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
35 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
36 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 1ART - PLP 0A0 n/a n/a
38 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
39 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
40 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
41 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
42 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
43 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
44 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
45 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
46 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
47 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
50% Homology Family (72)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2AY8 Kd = 5.8 mM 4TB C8 H10 O2 S c1cc(sc1)C....
2 2AY4 Kd = 1.24 mM PPT C10 H12 O2 Cc1ccc(cc1....
3 2AY7 Kd = 5 mM CLT C10 H12 O2 c1ccc(cc1)....
4 2AY3 Kd = 0.28 mM MPP C11 H14 O4 COc1ccc(cc....
5 1AY8 - HCI C9 H10 O2 c1ccc(cc1)....
6 1AY5 - MAE C4 H4 O4 C(=C/C(=O)....
7 2AY9 Kd = 6.9 mM 5PV C11 H14 O2 c1ccc(cc1)....
8 2AY6 Kd = 0.78 mM 3IB C12 H13 N O2 c1ccc2c(c1....
9 2AY2 Kd = 13.1 mM CXP C9 H16 O2 C1CCC(CC1)....
10 2AY5 Kd = 2.6 mM IOP C11 H11 N O2 c1ccc2c(c1....
11 2AY1 Kd = 5.14 mM AHC C9 H11 N O2 c1cc(ccc1C....
12 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
13 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
14 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
15 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
17 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
18 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
20 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
21 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
22 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
23 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
24 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
25 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
26 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
28 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
29 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
30 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
31 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
32 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
33 1AHG - TYR PLP n/a n/a
34 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
35 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
36 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
38 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
39 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
40 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
41 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
42 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
43 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
44 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
45 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
46 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
47 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
48 1ART - PLP 0A0 n/a n/a
49 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
50 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
51 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
52 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
53 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
54 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
55 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
56 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
57 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
58 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
59 1MAP - KET C12 H16 N2 O9 P Cc1c(c(c(c....
60 1AKC - PPE C13 H20 N2 O9 P Cc1c(c(c(c....
61 1AMA - PLA C13 H19 N2 O9 P Cc1c(c(c(c....
62 1AKB - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
63 1IVR - CBA C12 H17 N2 O11 P Cc1c(c(c(c....
64 1AKA - PLP C8 H10 N O6 P Cc1c(c(c(c....
65 1MAQ - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
66 9AAT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
67 1OXP - IK2 C10 H15 N2 O8 P Cc1c(c(c(c....
68 1OXO - IK2 C10 H15 N2 O8 P Cc1c(c(c(c....
69 4RKC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70 2CST - MAE C4 H4 O4 C(=C/C(=O)....
71 1YAA - MAE C4 H4 O4 C(=C/C(=O)....
72 6DND - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HCI; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 HCI 1 1
2 CLT 0.666667 0.875
3 5PV 0.611111 0.823529
4 HPP 0.542857 0.666667
5 PPT 0.527778 0.875
6 S0W 0.527778 0.7
7 KPV 0.526316 0.619048
8 PAC 0.5 0.8
9 LSQ 0.452381 0.7
10 3EB 0.44186 0.736842
11 PPY 0.432432 0.631579
12 HF2 0.4 0.65
13 HFA 0.4 0.65
Similar Ligands (3D)
Ligand no: 1; Ligand: HCI; Similar ligands found: 1036
No: Ligand Similarity coefficient
1 PBA 1.0000
2 TCA 1.0000
3 XIZ 0.9999
4 CXP 0.9933
5 PO6 0.9906
6 R9M 0.9853
7 J0Z 0.9827
8 PHE 0.9805
9 FK8 0.9801
10 AHC 0.9764
11 URO 0.9758
12 PRA 0.9719
13 P81 0.9712
14 LVD 0.9704
15 NFA 0.9700
16 2HC 0.9689
17 N4B 0.9685
18 HC4 0.9684
19 HX4 0.9667
20 P80 0.9666
21 N9J 0.9664
22 ESX 0.9664
23 BNF 0.9658
24 P58 0.9653
25 173 0.9649
26 3YP 0.9642
27 S8V 0.9631
28 ESP 0.9609
29 9RW 0.9608
30 LT1 0.9601
31 PBN 0.9601
32 1BN 0.9596
33 AHN 0.9592
34 M6H 0.9589
35 4LW 0.9580
36 YZM 0.9576
37 4TB 0.9570
38 DPN 0.9569
39 F90 0.9567
40 P7Y 0.9566
41 3H2 0.9566
42 AKG 0.9564
43 DHY 0.9563
44 268 0.9561
45 4ZD 0.9553
46 4WL 0.9551
47 HIS 0.9550
48 TYR 0.9549
49 BZ2 0.9543
50 OOG 0.9541
51 F06 0.9530
52 SMN 0.9527
53 4HP 0.9515
54 Q9Z 0.9513
55 1L5 0.9505
56 PIM 0.9499
57 MSR 0.9498
58 R2P 0.9492
59 TYC 0.9491
60 TIH 0.9489
61 B40 0.9486
62 NYL 0.9477
63 ICB 0.9474
64 8OZ 0.9470
65 IWT 0.9468
66 BNL 0.9464
67 M74 0.9463
68 11C 0.9462
69 TYL 0.9461
70 258 0.9457
71 PIY 0.9440
72 A5E 0.9440
73 264 0.9439
74 4LV 0.9437
75 ZGL 0.9435
76 AOT 0.9432
77 HHH 0.9429
78 GRO 0.9420
79 4PN 0.9419
80 MUC 0.9412
81 K7M 0.9411
82 OGA 0.9407
83 DHC 0.9403
84 SYC 0.9403
85 MNN 0.9400
86 1A7 0.9398
87 UN1 0.9396
88 R20 0.9395
89 SHI 0.9392
90 GVY 0.9392
91 7BC 0.9390
92 MES 0.9389
93 GO2 0.9389
94 B3U 0.9388
95 HHI 0.9388
96 TYE 0.9380
97 269 0.9380
98 263 0.9377
99 EN1 0.9376
100 QH3 0.9376
101 ENO 0.9375
102 1DJ 0.9374
103 HIC 0.9370
104 CPZ 0.9370
105 QY9 0.9369
106 S2P 0.9367
107 36Y 0.9365
108 0BP 0.9360
109 ENW 0.9359
110 PFF 0.9357
111 MXN 0.9355
112 DTY 0.9354
113 3QM 0.9354
114 TZM 0.9354
115 4ZA 0.9350
116 DHI 0.9347
117 56D 0.9344
118 4P5 0.9344
119 F9P 0.9343
120 RMN 0.9342
121 2HG 0.9342
122 PMF 0.9341
123 J9N 0.9340
124 L22 0.9340
125 HPS 0.9339
126 B85 0.9338
127 92K 0.9338
128 0A9 0.9336
129 1F1 0.9330
130 DYT 0.9328
131 BPW 0.9327
132 4XF 0.9326
133 3HP 0.9321
134 ALE 0.9321
135 YIE 0.9320
136 HXY 0.9319
137 Q02 0.9319
138 XCG 0.9319
139 5WZ 0.9315
140 M3H 0.9310
141 MPV 0.9310
142 SPA 0.9307
143 L5V 0.9306
144 HL4 0.9302
145 ISZ 0.9297
146 ESI 0.9297
147 5OO 0.9296
148 TMG 0.9295
149 49F 0.9294
150 QMP 0.9292
151 DGN 0.9290
152 BRH 0.9288
153 92G 0.9286
154 0HN 0.9285
155 PCS 0.9283
156 4BF 0.9281
157 23J 0.9280
158 M5E 0.9279
159 61M 0.9275
160 33S 0.9273
161 GJZ 0.9269
162 PEA 0.9268
163 4BY 0.9267
164 GUA 0.9265
165 LYS 0.9264
166 DLY 0.9264
167 4V2 0.9264
168 YPN 0.9259
169 HY1 0.9259
170 5LA 0.9259
171 7C3 0.9258
172 1X4 0.9258
173 TZF 0.9258
174 CFI 0.9258
175 J6W 0.9258
176 APG 0.9256
177 SAF 0.9255
178 7OD 0.9255
179 KTW 0.9254
180 6FZ 0.9253
181 NIZ 0.9253
182 DE5 0.9250
183 PHI 0.9248
184 6TZ 0.9248
185 8EW 0.9246
186 2UB 0.9246
187 YOF 0.9245
188 TB8 0.9243
189 3LR 0.9241
190 KPA 0.9240
191 FBM 0.9240
192 F4E 0.9239
193 DAH 0.9236
194 1M2 0.9235
195 LNR 0.9234
196 ICO 0.9234
197 OHP 0.9231
198 RAT 0.9226
199 M4T 0.9225
200 EVF 0.9224
201 RLG 0.9223
202 PH3 0.9222
203 URS 0.9221
204 AEG 0.9221
205 5XB 0.9220
206 3HG 0.9220
207 S2G 0.9220
208 I1E 0.9219
209 RQD 0.9216
210 1PS 0.9216
211 8U3 0.9216
212 S7A 0.9215
213 M45 0.9215
214 3CR 0.9213
215 SSB 0.9213
216 ARG 0.9211
217 6J5 0.9209
218 GLU 0.9208
219 9ON 0.9207
220 2BG 0.9206
221 HPV 0.9205
222 SNU 0.9203
223 JAW 0.9203
224 2ZM 0.9201
225 KDG 0.9200
226 GLN 0.9200
227 HQJ 0.9199
228 GOJ 0.9196
229 3QO 0.9195
230 2FX 0.9193
231 XIY 0.9192
232 7VP 0.9190
233 3ZB 0.9189
234 SYM 0.9188
235 BHO 0.9188
236 6NT 0.9188
237 CFA 0.9186
238 FEH 0.9184
239 0VT 0.9183
240 5OY 0.9183
241 CEE 0.9183
242 0OC 0.9183
243 ONH 0.9182
244 I4B 0.9182
245 E79 0.9179
246 DGL 0.9179
247 2IT 0.9179
248 271 0.9179
249 R9S 0.9177
250 6NI 0.9174
251 650 0.9172
252 0HO 0.9170
253 HJH 0.9169
254 QBM 0.9168
255 DIR 0.9168
256 K97 0.9168
257 5RN 0.9164
258 3NY 0.9164
259 URP 0.9162
260 FF2 0.9162
261 GZ2 0.9161
262 QUS 0.9160
263 J4K 0.9157
264 JB8 0.9157
265 JZ7 0.9156
266 JDN 0.9156
267 LDP 0.9155
268 Q03 0.9154
269 PEL 0.9153
270 X48 0.9150
271 RJY 0.9149
272 GB5 0.9149
273 363 0.9149
274 RP3 0.9148
275 NFM 0.9147
276 TZP 0.9147
277 TOH 0.9146
278 LQ2 0.9145
279 ALA ALA 0.9142
280 6ZX 0.9141
281 RA7 0.9140
282 KMH 0.9139
283 GLR 0.9134
284 B09 0.9133
285 OSE 0.9132
286 DZA 0.9131
287 GGB 0.9130
288 36E 0.9130
289 RNS 0.9129
290 PJW 0.9129
291 FBJ 0.9128
292 IYR 0.9127
293 795 0.9127
294 RBJ 0.9126
295 2FT 0.9126
296 DAL DAL 0.9125
297 5NI 0.9124
298 2FM 0.9122
299 PHU 0.9116
300 MF3 0.9115
301 XDE 0.9113
302 4VY 0.9112
303 DI6 0.9112
304 3PG 0.9108
305 ONL 0.9107
306 DEZ 0.9106
307 CLU 0.9105
308 YRL 0.9103
309 A29 0.9103
310 97T 0.9101
311 GGL 0.9099
312 FHC 0.9098
313 HDH 0.9098
314 GWM 0.9098
315 DHR 0.9098
316 HG3 0.9097
317 TSS 0.9097
318 MMS 0.9097
319 FZM 0.9096
320 4FA 0.9095
321 0JD 0.9094
322 15N 0.9092
323 4BL 0.9090
324 HSO 0.9089
325 C82 0.9088
326 3BU 0.9087
327 3GZ 0.9086
328 XDK 0.9086
329 A3M 0.9085
330 BP7 0.9084
331 C1M 0.9084
332 MP5 0.9082
333 FAN 0.9082
334 TPO 0.9081
335 EYV 0.9081
336 AEF 0.9080
337 PZI 0.9080
338 MHO 0.9079
339 XQI 0.9078
340 M2K 0.9078
341 KTA 0.9077
342 0L1 0.9076
343 SOL 0.9074
344 DEW 0.9073
345 LL2 0.9073
346 I2E 0.9072
347 IZC 0.9072
348 0NX 0.9071
349 A09 0.9070
350 BCU 0.9069
351 CIR 0.9069
352 IPO 0.9068
353 N2Y 0.9068
354 428 0.9067
355 LFC 0.9066
356 TIU 0.9066
357 Z70 0.9065
358 HA5 0.9064
359 UNJ 0.9063
360 G3H 0.9058
361 QIV 0.9056
362 9J3 0.9054
363 X0V 0.9052
364 K34 0.9051
365 E3X 0.9049
366 BHH 0.9046
367 OTR 0.9045
368 3C4 0.9044
369 CH9 0.9044
370 AMQ 0.9044
371 SEP 0.9042
372 E0O 0.9040
373 9RH 0.9040
374 1Z6 0.9040
375 HGA 0.9039
376 EKZ 0.9039
377 52C 0.9039
378 2JJ 0.9038
379 NCT 0.9038
380 K6H 0.9037
381 Y3L 0.9036
382 LUQ 0.9035
383 ISA 0.9035
384 ENV 0.9034
385 JFM 0.9033
386 E1P 0.9032
387 RNT 0.9031
388 2BX 0.9031
389 9VQ 0.9031
390 HWD 0.9030
391 SME 0.9030
392 5OB 0.9029
393 NLE 0.9028
394 4SX 0.9028
395 S24 0.9025
396 IAC 0.9024
397 36M 0.9022
398 HNK 0.9022
399 HNL 0.9022
400 9ZE 0.9022
401 069 0.9022
402 OKG 0.9021
403 DXG 0.9020
404 CXF 0.9015
405 ANN 0.9015
406 OHJ 0.9014
407 NNH 0.9014
408 3A9 0.9013
409 AAN 0.9012
410 CUW 0.9011
411 14W 0.9011
412 J9Q 0.9011
413 NVU 0.9010
414 DS0 0.9006
415 INO 0.9006
416 8SZ 0.9005
417 GCO 0.9005
418 NF3 0.9005
419 6KT 0.9004
420 SNO 0.9002
421 RNO 0.9002
422 TPA 0.9000
423 2C2 0.9000
424 MR1 0.8997
425 IFP 0.8995
426 8NB 0.8993
427 L14 0.8992
428 4FH 0.8991
429 D3G 0.8990
430 MQB 0.8988
431 AAS 0.8988
432 J9T 0.8986
433 IP8 0.8985
434 TZE 0.8983
435 5LD 0.8982
436 CCU 0.8982
437 0W1 0.8982
438 F52 0.8979
439 3SL 0.8979
440 TSU 0.8979
441 ABI 0.8978
442 PNZ 0.8978
443 2QC 0.8977
444 CXH 0.8977
445 4BX 0.8974
446 MAJ 0.8973
447 FBS 0.8971
448 8ZE 0.8971
449 IOS 0.8971
450 2HU 0.8970
451 152 0.8969
452 PMB 0.8968
453 Q04 0.8967
454 2O6 0.8967
455 4NB 0.8967
456 AOS 0.8966
457 JRB 0.8966
458 E4P 0.8966
459 AMS 0.8965
460 JZA 0.8963
461 SLS 0.8962
462 3S5 0.8962
463 SOR 0.8960
464 TAG 0.8960
465 E1T 0.8960
466 KTJ 0.8960
467 BPY 0.8960
468 EDR 0.8959
469 FBW 0.8959
470 KMT 0.8958
471 GZ3 0.8958
472 BQ2 0.8958
473 LMR 0.8958
474 GVA 0.8957
475 B1J 0.8957
476 HSX 0.8956
477 0LH 0.8956
478 ZON 0.8956
479 TSR 0.8955
480 OMD 0.8954
481 GB4 0.8954
482 PEP 0.8953
483 SAN 0.8952
484 R9J 0.8949
485 ZZ2 0.8948
486 GBN 0.8947
487 FCR 0.8947
488 KMY 0.8947
489 6FB 0.8947
490 ASC 0.8946
491 0A1 0.8945
492 M4E 0.8945
493 AX3 0.8945
494 ZBT 0.8945
495 JFJ 0.8944
496 PTU 0.8944
497 5XA 0.8943
498 92P 0.8942
499 OCH 0.8942
500 SRT 0.8941
501 7Q1 0.8940
502 0QW 0.8940
503 AMH 0.8938
504 XBT 0.8937
505 BZ3 0.8937
506 6Q3 0.8936
507 S0F 0.8935
508 IOP 0.8934
509 FOM 0.8934
510 SBK 0.8934
511 COU 0.8933
512 I3A 0.8933
513 N2Z 0.8933
514 1SA 0.8933
515 ZEC 0.8933
516 ACA 0.8932
517 PPR 0.8932
518 LGT 0.8932
519 M5H 0.8932
520 2LT 0.8930
521 BZE 0.8930
522 FER 0.8930
523 N7I 0.8930
524 MAH 0.8929
525 CHH 0.8929
526 OEG 0.8929
527 C53 0.8928
528 BSX 0.8927
529 1LN 0.8927
530 GVM 0.8927
531 SB7 0.8926
532 2LP 0.8926
533 3VS 0.8926
534 5XC 0.8925
535 X0U 0.8924
536 MHN 0.8923
537 8XL 0.8923
538 MLZ 0.8921
539 4J8 0.8920
540 PEQ 0.8919
541 SPV 0.8919
542 PRO GLY 0.8918
543 AL0 0.8917
544 EXD 0.8917
545 XRS 0.8915
546 LPK 0.8915
547 XYH 0.8915
548 JZ4 0.8915
549 7WG 0.8914
550 AT3 0.8913
551 HMS 0.8913
552 JB5 0.8913
553 4HB 0.8913
554 4JT 0.8912
555 EOU 0.8912
556 PRY 0.8910
557 PSJ 0.8910
558 LNO 0.8910
559 F98 0.8909
560 42J 0.8909
561 GVG 0.8909
562 T9G 0.8909
563 DER 0.8907
564 XRX 0.8907
565 5HY 0.8907
566 RUJ 0.8905
567 5RO 0.8905
568 N1E 0.8905
569 MLT 0.8905
570 PGH 0.8903
571 13P 0.8903
572 GNW 0.8902
573 TZL 0.8902
574 YTX 0.8901
575 03V 0.8901
576 GLO 0.8901
577 GLY GLY 0.8900
578 AN3 0.8900
579 MTL 0.8898
580 9GB 0.8897
581 FUD 0.8897
582 6HO 0.8896
583 KPC 0.8895
584 6M4 0.8895
585 3VW 0.8894
586 7N0 0.8894
587 ES5 0.8894
588 AG2 0.8893
589 4TU 0.8893
590 DEE 0.8892
591 8GL 0.8891
592 SDD 0.8890
593 RSO 0.8890
594 RP5 0.8890
595 I3E 0.8888
596 FB2 0.8883
597 N2I 0.8881
598 B2J 0.8880
599 N6C 0.8880
600 54D 0.8879
601 9FL 0.8879
602 7UC 0.8877
603 GO8 0.8876
604 N91 0.8876
605 M72 0.8875
606 2PG 0.8875
607 HBU 0.8874
608 2CL 0.8874
609 S7G 0.8873
610 9BF 0.8872
611 MET 0.8871
612 4BZ 0.8871
613 ORN 0.8870
614 FWD 0.8870
615 4FS 0.8870
616 CCB 0.8869
617 GLL 0.8869
618 GPJ 0.8868
619 GPF 0.8868
620 CS2 0.8868
621 505 0.8868
622 DHB 0.8868
623 7MU 0.8867
624 FF3 0.8866
625 6HN 0.8865
626 4FP 0.8865
627 DHM 0.8864
628 GT4 0.8864
629 EQW 0.8863
630 2AQ 0.8862
631 8WT 0.8862
632 CCE 0.8860
633 0F9 0.8860
634 F4K 0.8859
635 BHU 0.8858
636 BZQ 0.8856
637 9FE 0.8856
638 FIX 0.8855
639 H42 0.8855
640 7A8 0.8855
641 ABF 0.8854
642 PHB 0.8854
643 SSC 0.8853
644 FP1 0.8851
645 PAB 0.8851
646 ASP 0.8850
647 Q06 0.8849
648 4I8 0.8849
649 0FK 0.8848
650 BEZ 0.8847
651 CCD 0.8846
652 DXP 0.8845
653 SQV 0.8843
654 YIP 0.8843
655 TAR 0.8843
656 GZL 0.8842
657 H4E 0.8842
658 4NC 0.8842
659 PLR 0.8841
660 11X 0.8840
661 EYJ 0.8840
662 ARP 0.8840
663 BZJ 0.8840
664 7O4 0.8840
665 3VX 0.8840
666 FPL 0.8840
667 12T 0.8839
668 HQ9 0.8838
669 M3P 0.8838
670 XI7 0.8838
671 3PF 0.8833
672 SD4 0.8832
673 41K 0.8831
674 AC6 0.8831
675 5FX 0.8830
676 TLA 0.8829
677 LYL 0.8827
678 9W5 0.8827
679 HPN 0.8825
680 KYN 0.8824
681 PLP 0.8823
682 0V5 0.8821
683 TU0 0.8820
684 1IT 0.8820
685 5O5 0.8818
686 CIY 0.8818
687 OAA 0.8817
688 QDK 0.8816
689 SHA 0.8815
690 XCZ 0.8815
691 TRP 0.8813
692 RCV 0.8813
693 4TP 0.8812
694 2HO 0.8812
695 93K 0.8812
696 261 0.8811
697 HPT 0.8810
698 2F6 0.8810
699 4NS 0.8807
700 G3P 0.8806
701 OCA 0.8804
702 9YT 0.8801
703 1VK 0.8801
704 CHB 0.8801
705 XM0 0.8800
706 51R 0.8800
707 3OM 0.8800
708 JAH 0.8800
709 9CA 0.8800
710 492 0.8799
711 LLH 0.8798
712 3OL 0.8798
713 TT4 0.8797
714 BVA 0.8796
715 E7Z 0.8791
716 SWX 0.8791
717 E5X 0.8791
718 68A 0.8791
719 HNM 0.8790
720 HSM 0.8790
721 3VQ 0.8790
722 MSE 0.8788
723 HNH 0.8788
724 9KH 0.8787
725 XLS 0.8786
726 7HQ 0.8786
727 129 0.8785
728 SN4 0.8785
729 X1P 0.8784
730 VKC 0.8784
731 YIH 0.8784
732 CWD 0.8783
733 RUY 0.8783
734 FBB 0.8782
735 2NP 0.8781
736 K80 0.8781
737 STT 0.8781
738 51F 0.8780
739 NPO 0.8780
740 ZZU 0.8779
741 50C 0.8779
742 4LR 0.8778
743 9R5 0.8778
744 ACH 0.8777
745 NNO 0.8776
746 IHB 0.8776
747 NTU 0.8774
748 4JQ 0.8774
749 6MW 0.8772
750 4NG 0.8772
751 DAS 0.8771
752 C5A 0.8771
753 GRF 0.8771
754 MJ5 0.8771
755 XRG 0.8771
756 M3E 0.8770
757 K5W 0.8769
758 JND 0.8768
759 4RW 0.8766
760 8WO 0.8766
761 BWD 0.8764
762 RB5 0.8764
763 717 0.8764
764 PC 0.8762
765 FBV 0.8762
766 M4S 0.8761
767 ODK 0.8761
768 APS 0.8759
769 SRO 0.8757
770 L99 0.8754
771 PJL 0.8754
772 NM2 0.8754
773 S0D 0.8754
774 FHB 0.8753
775 LR5 0.8751
776 IWD 0.8750
777 JF6 0.8750
778 42A 0.8750
779 G14 0.8750
780 XUL 0.8750
781 6SD 0.8750
782 4YO 0.8750
783 MYJ 0.8749
784 N3W 0.8748
785 GP9 0.8746
786 KDV 0.8745
787 CK2 0.8744
788 SYG 0.8744
789 4MA 0.8744
790 DNF 0.8743
791 SIN 0.8743
792 1SV 0.8742
793 40F 0.8741
794 UA5 0.8741
795 AEH 0.8741
796 5QY 0.8741
797 4RU 0.8741
798 UFV 0.8741
799 MXD 0.8740
800 CH8 0.8740
801 FBF 0.8740
802 TEO 0.8739
803 X1R 0.8739
804 2AL 0.8739
805 KBB 0.8737
806 S7J 0.8737
807 RBL 0.8736
808 3R4 0.8735
809 NXA 0.8733
810 AS3 0.8733
811 1GP 0.8733
812 EV0 0.8733
813 F9Y 0.8733
814 K2T 0.8733
815 LJ3 0.8733
816 M6W 0.8732
817 L03 0.8732
818 80G 0.8731
819 KJU 0.8731
820 4A3 0.8730
821 091 0.8729
822 PBC 0.8729
823 MEV 0.8728
824 MD6 0.8727
825 4XV 0.8726
826 S3C 0.8725
827 PKU 0.8725
828 BTM 0.8724
829 5GU 0.8724
830 ONR 0.8724
831 ROR 0.8723
832 2EC 0.8723
833 M1Z 0.8720
834 DBX 0.8719
835 2PK 0.8719
836 A51 0.8718
837 27L 0.8718
838 API 0.8716
839 0SY 0.8716
840 2AS 0.8715
841 G3E 0.8714
842 LEU 0.8713
843 6NA 0.8711
844 7MK 0.8711
845 DII 0.8711
846 JG8 0.8710
847 M58 0.8709
848 GJK 0.8708
849 JCZ 0.8707
850 JLZ 0.8707
851 3AE 0.8705
852 2FY 0.8704
853 DOB 0.8703
854 BEN 0.8703
855 4NP 0.8702
856 7QS 0.8701
857 46P 0.8700
858 259 0.8700
859 1Y6 0.8700
860 HIO 0.8699
861 KOJ 0.8699
862 DTR 0.8698
863 94W 0.8697
864 2C0 0.8696
865 F31 0.8696
866 SKF 0.8696
867 BZX 0.8696
868 LAO 0.8694
869 PBZ 0.8694
870 ABV 0.8693
871 FA0 0.8693
872 XYL 0.8692
873 4FE 0.8690
874 BHA 0.8690
875 FA3 0.8690
876 78Y 0.8690
877 449 0.8689
878 EOL 0.8689
879 P9P 0.8689
880 ES2 0.8688
881 QSB 0.8688
882 791 0.8688
883 TL6 0.8687
884 4NZ 0.8687
885 MWP 0.8686
886 PRZ 0.8686
887 14O 0.8685
888 BSA 0.8684
889 OK7 0.8683
890 F60 0.8683
891 PCA 0.8681
892 0OL 0.8680
893 6RQ 0.8680
894 3OC 0.8680
895 EHM 0.8679
896 NDH 0.8679
897 A7H 0.8679
898 PGA 0.8679
899 TGX 0.8678
900 A5P 0.8678
901 3HM 0.8677
902 6M9 0.8677
903 XX2 0.8673
904 6L6 0.8673
905 GXY 0.8672
906 N8Y 0.8672
907 5O6 0.8672
908 KUF 0.8671
909 15E 0.8670
910 E7S 0.8670
911 6PC 0.8670
912 1WC 0.8668
913 FB1 0.8668
914 ODO 0.8667
915 JZ5 0.8666
916 KLE 0.8666
917 GZQ 0.8665
918 4XS 0.8665
919 MQN 0.8665
920 PLP PMP 0.8665
921 CWJ 0.8664
922 DDU 0.8664
923 9TW 0.8664
924 NPA 0.8664
925 SW7 0.8664
926 IOM 0.8664
927 S0E 0.8662
928 V1T 0.8662
929 COI 0.8660
930 64Z 0.8660
931 1HN 0.8660
932 5TY 0.8660
933 6QF 0.8660
934 YCP 0.8657
935 GJP 0.8657
936 GLY ALA 0.8656
937 LTT 0.8656
938 4M0 0.8656
939 45L 0.8656
940 HBA 0.8656
941 PD2 0.8655
942 GAB 0.8654
943 0P6 0.8653
944 0TU 0.8652
945 8NX 0.8651
946 4OG 0.8650
947 BPN 0.8650
948 ISD 0.8648
949 LZM 0.8648
950 4Z1 0.8646
951 ASN 0.8646
952 PDC 0.8644
953 8HC 0.8640
954 ANC 0.8640
955 HBD 0.8639
956 JBZ 0.8639
957 3HB 0.8639
958 NSB 0.8638
959 6C5 0.8637
960 DHS 0.8636
961 BNS 0.8635
962 QSC 0.8635
963 D6G 0.8632
964 CYX 0.8631
965 BAM 0.8631
966 ZYR 0.8630
967 AC0 0.8630
968 QME 0.8629
969 SS1 0.8628
970 JTH 0.8628
971 9UL 0.8627
972 R9Y 0.8627
973 CWS 0.8625
974 VXX 0.8625
975 NIO 0.8624
976 OQC 0.8624
977 AY4 0.8622
978 LO1 0.8621
979 JOV 0.8618
980 OA3 0.8617
981 SR1 0.8615
982 6DP 0.8615
983 27B 0.8614
984 GF4 0.8613
985 LEL 0.8612
986 HA7 0.8611
987 9NB 0.8609
988 KNA 0.8606
989 FSG 0.8606
990 ZZA 0.8605
991 JPQ 0.8605
992 4CM 0.8603
993 4HC 0.8601
994 2SX 0.8600
995 ORO 0.8600
996 SYV 0.8593
997 G6P 0.8592
998 NCA 0.8592
999 5WN 0.8591
1000 ILE 0.8591
1001 N2M 0.8590
1002 AX7 0.8590
1003 2K8 0.8588
1004 FQI 0.8588
1005 4CS 0.8586
1006 6HP 0.8583
1007 JP2 0.8581
1008 TLM 0.8581
1009 57O 0.8581
1010 JGB 0.8580
1011 HLP 0.8578
1012 OVM 0.8576
1013 F05 0.8576
1014 VC3 0.8575
1015 D2G 0.8574
1016 1P3 0.8570
1017 MPK 0.8569
1018 PNP 0.8568
1019 K82 0.8567
1020 HHA 0.8566
1021 3IB 0.8565
1022 4AA 0.8563
1023 UNU 0.8563
1024 ZYQ 0.8551
1025 826 0.8550
1026 DHK 0.8547
1027 4FF 0.8546
1028 MJW 0.8539
1029 KDF 0.8537
1030 AOY 0.8536
1031 NAG 0.8535
1032 HYA 0.8530
1033 7MW 0.8525
1034 ICF 0.8522
1035 ZHA 0.8522
1036 P93 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TOI; Ligand: HCI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1toi.bio1) has 75 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1TOI; Ligand: HCI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1toi.bio1) has 75 residues
No: Leader PDB Ligand Sequence Similarity
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